CID 15954296

107659-44-9

Structural Information

Molecular Formula
C18H18N2O2
SMILES
C1=CC=C(C=C1)[C@@H]([C@](CN2C=CN=C2)(C3=CC=CC=C3)O)O
InChI
InChI=1S/C18H18N2O2/c21-17(15-7-3-1-4-8-15)18(22,13-20-12-11-19-14-20)16-9-5-2-6-10-16/h1-12,14,17,21-22H,13H2/t17-,18-/m0/s1
InChIKey
CAKMWGWVLRCTHJ-ROUUACIJSA-N
Compound name
(1S,2R)-3-imidazol-1-yl-1,2-diphenylpropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.13684 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 168.4
[M+Na]+ 317.12606 173.4
[M-H]- 293.12956 172.6
[M+NH4]+ 312.17066 180.4
[M+K]+ 333.10000 168.3
[M+H-H2O]+ 277.13410 159.2
[M+HCOO]- 339.13504 185.7
[M+CH3COO]- 353.15069 178.1
[M+Na-2H]- 315.11151 173.0
[M]+ 294.13629 166.0
[M]- 294.13739 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.